![2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile structure](/static/products/3391/339102-63-5.webp)
2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile
TL;DR: 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile (CAS 339102-63-5) is a chemical compound with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(dimethylamino)-3-(3-nitroanilino)prop-2-enylidene]propanedinitrile
Also Known As: 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile, 2-[1-(dimethylamino)-3-[(3-nitrophenyl)amino]prop-2-en-1-ylidene]propanedinitrile, 2-[1-(dimethylamino)-3-(3-nitroanilino)prop-2-enylidene]propanedinitrile
| Molecular Formula | C14H13N5O2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.38326 |
| Topological Polar Surface Area | 105.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.10693 |
| Heavy Atoms | 21 |
| Complexity | 661.34015 |
Chemical Identifiers
| CAS Number | 339102-63-5 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)C=CNC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile (CAS 339102-63-5), with molecular formula C14H13N5O2 and molecular weight 283.11 g/mol. IUPAC: 2-[1-(dimethylamino)-3-(3-nitroanilino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile
Property Insights of 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile
The XLogP value of 2.38326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile. The TPSA of 105.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile. Following Lipinski's Rule of Five, 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile?
The CAS number of 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile is 339102-63-5.
What is the molecular formula of 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile?
The molecular formula of 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile is C14H13N5O2.
What is the molecular weight of 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile?
The molecular weight of 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile is 283.11 g/mol.
Where can I buy 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile?
You can request a quote for 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(dimethylamino)-3-(3-nitroanilino)-2-propenylidene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.